2-bromo-6H-benzo[c]chromene-3,8-diol

C13H9BrO3 — CID 150096305

IUPAC2-bromo-6H-benzo[c]chromene-3,8-diol
SMILESOc1ccc2c(c1)COc1cc(O)c(Br)cc1-2
InChIInChI=1S/C13H9BrO3/c14-11-4-10-9-2-1-8(15)3-7(9)6-17-13(10)5-12(11)16/h1-5,15-16H,6H2
InChIKeyDUHPKIDIBSQXPQ-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.42
Rot. Bonds

About 2-bromo-6H-benzo[c]chromene-3,8-diol

2-bromo-6H-benzo[c]chromene-3,8-diol (PubChem CID 150096305) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-bromo-6H-benzo[c]chromene-3,8-diol.

Molecular Properties

Compound Name2-bromo-6H-benzo[c]chromene-3,8-diol
PubChem CID150096305
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name2-bromo-6H-benzo[c]chromene-3,8-diol
SMILESOc1ccc2c(c1)COc1cc(O)c(Br)cc1-2
InChIInChI=1S/C13H9BrO3/c14-11-4-10-9-2-1-8(15)3-7(9)6-17-13(10)5-12(11)16/h1-5,15-16H,6H2
InChIKeyDUHPKIDIBSQXPQ-UHFFFAOYSA-N
XLogP3.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6H-benzo[c]chromene-3,8-diol?
The IUPAC name of 2-bromo-6H-benzo[c]chromene-3,8-diol (CID 150096305) is 2-bromo-6H-benzo[c]chromene-3,8-diol.
What is the SMILES notation for 2-bromo-6H-benzo[c]chromene-3,8-diol?
The canonical SMILES for 2-bromo-6H-benzo[c]chromene-3,8-diol is Oc1ccc2c(c1)COc1cc(O)c(Br)cc1-2.
What is the InChIKey of 2-bromo-6H-benzo[c]chromene-3,8-diol?
The InChIKey is DUHPKIDIBSQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-11-4-10-9-2-1-8(15)3-7(9)6-17-13(10)5-12(11)16/h1-5,15-16H,6H2.
What are the key properties of 2-bromo-6H-benzo[c]chromene-3,8-diol?
2-bromo-6H-benzo[c]chromene-3,8-diol has a molecular weight of 293.12 g/mol, XLogP of 3.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6H-benzo[c]chromene-3,8-diol is sourced from PubChem (CID 150096305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).